4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine

C10H19N3O2S — CID 103365436

IUPAC4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC(C)(C)OC
InChIInChI=1S/C10H19N3O2S/c1-5-15-7-8(11)13-16-9(7)12-6-10(2,3)14-4/h12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyLZTFXCZPVYJEJM-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.96
Rot. Bonds6

About 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365436) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103365436
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC(C)(C)OC
InChIInChI=1S/C10H19N3O2S/c1-5-15-7-8(11)13-16-9(7)12-6-10(2,3)14-4/h12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyLZTFXCZPVYJEJM-UHFFFAOYSA-N
XLogP1.96
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine (CID 103365436) is 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC(C)(C)OC.
What is the InChIKey of 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LZTFXCZPVYJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-15-7-8(11)13-16-9(7)12-6-10(2,3)14-4/h12H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 245.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).